Sugi Predict

Sugi Predict / Compounds / SCHEMBL10196871

SCHEMBL10196871

SCHEMBL10196871

CN1[C@@H]2CC[C@H]1C[C@@H](c1ccc(-n3cc(-c4n[nH]c5ccccc45)nn3)cc1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 1/20 0.39
▸ FGFR1 P11362 3/20 0.36
▸ FLT1 P17948 3/20 0.36
▸ LRRK2 Q5S007 1/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ MIF P14174 1/20 0.35
▸ IRAK4 Q9NWZ3 2/20 0.34
▸ MAPK8 P45983 2/20 0.34
▸ MAPK9 P45984 2/20 0.34
▸ TTK P33981 2/20 0.34
▸ MAPK10 P53779 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ ALPL P05186 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CDC7 O00311 1/20 0.34
▸ ROCK2 O75116 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10194801 1.00 GRM4 (0.39) GRM4FGFR1FLT1LRRK2ABL1
SCHEMBL10194867 0.96 GRM4 (0.38) GRM4FGFR1FLT1LRRK2ABL1
SCHEMBL10196959 0.88 HTR2A (0.39) FGFR1FLT1FLT3HTR2AADRA2A
SCHEMBL17850463 0.88 HTR2A (0.39) FGFR1FLT1FLT3HTR2AADRA2A
SCHEMBL15312569 0.87 FGFR1 (0.37) GRM4FGFR1FLT1LRRK2ABL1
SCHEMBL17850431 0.87 FGFR1 (0.37) GRM4FGFR1FLT1LRRK2ABL1
SCHEMBL15312601 0.87 FGFR1 (0.37) GRM4FGFR1FLT1LRRK2ABL1
SCHEMBL10196757 0.87 FGFR1 (0.37) GRM4FGFR1FLT1LRRK2ABL1
SCHEMBL15312570 0.87 FGFR1 (0.37) GRM4FGFR1FLT1LRRK2ABL1
SCHEMBL10194803 0.86 GRM4 (0.36) GRM4FGFR1FLT1LRRK2ABL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 — — EP disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 — — US disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 — — US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 — — US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 — — US disclosed
WO-2012084704-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO S.A. (CH) 2012-06-28 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES NFATC1, IL5, CD4 GRM4 3082/4885FGFR1 3392/4885FLT1 1926/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.